acetic acid 3-acetylamino-6-benzyloxymethyl-5-[6-benzyloxymethyl-4,5-dihydroxy-3-(3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-2-[3-(2,2,2-trifluoro-acetylamino)-propoxy]-tetrahydro-pyran-4-yl ester | 497173-12-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: acetic acid 3-acetylamino-6-benzyloxymethyl-5-[6-benzyloxymethyl-4,5-dihydroxy-3-(3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-2-[3-(2,2,2-trifluoro-acetylamino)-propoxy]-tetrahydro-pyran-4-yl ester
• CAS: 497173-12-3
• 化学式: C₆₂H₇₃F₃N₂O₁₇
• 分子量: 1175.26
• InChiKey: SGBRXPHWWKVWMI-QVOVVJAWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.38
• 重原子数：
  84.0
• 可旋转键数：
  28.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  226.49
• 氢给体数：
  4.0
• 氢受体数：
  17.0

反应信息

• 作为反应物：
  描述：

  溶剂黄146 、 acetic acid 3-acetylamino-6-benzyloxymethyl-5-[6-benzyloxymethyl-4,5-dihydroxy-3-(3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-2-[3-(2,2,2-trifluoro-acetylamino)-propoxy]-tetrahydro-pyran-4-yl ester 在 对甲苯磺酸 、 原乙酸三乙酯 作用下， 以89%的产率得到
  参考文献：
  名称：

  Synthesis of histo blood-group antigens A and B (type 2), xenoantigen Galα1-3Galβ1-4GlcNAc and related type 2 backbone oligosaccharides as haptens in spacered form

  摘要：

  The partial alpha-fucosylation of spacered (sp = CH2CH2CH2NH2) N-acetyl beta-lactosamine derivative having free hydroxy groups at C-3 and C-2' gives rise to oligosaccharides H (type 2), Le(x) and Le(y), the first one was further elongated giving rise to A (type 2) or B (type 2) tetrasaccharides; spacered trisaccharides Galalpha1-3Galbeta1-4GlcNAc and Galalpha1-4Galbeta1-4GlcNAc were synthesised by the partial alpha-galactosylation of N-acetyl beta-lactosamine derivative, having free hydroxy groups at C-4' and C-3'.

  DOI：

  10.1070/mc2002v012n04abeh001591
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 生成 acetic acid 3-acetylamino-6-benzyloxymethyl-5-[6-benzyloxymethyl-4,5-dihydroxy-3-(3,4,5-tris-benzyloxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-2-[3-(2,2,2-trifluoro-acetylamino)-propoxy]-tetrahydro-pyran-4-yl ester
  参考文献：
  名称：

  Synthesis of histo blood-group antigens A and B (type 2), xenoantigen Galα1-3Galβ1-4GlcNAc and related type 2 backbone oligosaccharides as haptens in spacered form

  摘要：

  The partial alpha-fucosylation of spacered (sp = CH2CH2CH2NH2) N-acetyl beta-lactosamine derivative having free hydroxy groups at C-3 and C-2' gives rise to oligosaccharides H (type 2), Le(x) and Le(y), the first one was further elongated giving rise to A (type 2) or B (type 2) tetrasaccharides; spacered trisaccharides Galalpha1-3Galbeta1-4GlcNAc and Galalpha1-4Galbeta1-4GlcNAc were synthesised by the partial alpha-galactosylation of N-acetyl beta-lactosamine derivative, having free hydroxy groups at C-4' and C-3'.

  DOI：

  10.1070/mc2002v012n04abeh001591